Basic information
- CAS
52904-49-1- Standard SMILES
CCOC(=O)N1CC2CCCC(C1)C2(OC)c1ccccc1- InChIKey
AESIKVFHLLNBDG-UHFFFAOYSA-N- Molecular formula
- C18H25NO3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.18344366
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, ethyl ester, syn-
- IUPAC
- ethyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Names & synonyms
BRN 14886711-Ethoxycarbonyl-4-beta-methoxy-4-alpha-phenyl-3-alpha,5-alpha-propanopiperidine52904-49-1syn-9-Methoxy-9-phenyl-3-azabicyclo(3.3.1)nonane-3-carboxylic acid ethyl ester3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, ethyl ester, syn-RefChem:276784DTXSID30967374ethyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Database identifiers
- CAS
52904-49-1- PubChem CID
- 40574
- DTXSID
DTXSID30967374
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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